3-amino-4,4-dimethyl-2-[methyl(pyridin-2-ylmethyl)amino]pentan-1-ol

C14H25N3O — CID 114356672

IUPAC3-amino-4,4-dimethyl-2-[methyl(pyridin-2-ylmethyl)amino]pentan-1-ol
SMILESCN(Cc1ccccn1)C(CO)C(N)C(C)(C)C
InChIInChI=1S/C14H25N3O/c1-14(2,3)13(15)12(10-18)17(4)9-11-7-5-6-8-16-11/h5-8,12-13,18H,9-10,15H2,1-4H3
InChIKeyKQLWQZYLGKGFCU-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.25
Rot. Bonds5

About 3-amino-4,4-dimethyl-2-[methyl(pyridin-2-ylmethyl)amino]pentan-1-ol

3-amino-4,4-dimethyl-2-[methyl(pyridin-2-ylmethyl)amino]pentan-1-ol (PubChem CID 114356672) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-2-[methyl(pyridin-2-ylmethyl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-2-[methyl(pyridin-2-ylmethyl)amino]pentan-1-ol
PubChem CID114356672
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-amino-4,4-dimethyl-2-[methyl(pyridin-2-ylmethyl)amino]pentan-1-ol
SMILESCN(Cc1ccccn1)C(CO)C(N)C(C)(C)C
InChIInChI=1S/C14H25N3O/c1-14(2,3)13(15)12(10-18)17(4)9-11-7-5-6-8-16-11/h5-8,12-13,18H,9-10,15H2,1-4H3
InChIKeyKQLWQZYLGKGFCU-UHFFFAOYSA-N
XLogP1.25
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol
CID 115137806
3,3,3-trifluoro-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 43752727
(1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 177492952
3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 60914164
3-[methyl(pyridin-2-ylmethyl)amino]butanethioamide
CID 60914342
(2R)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butanamide
CID 103929297
2-N,2-dimethyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 43564797
(3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol
CID 135132625
2-[benzyl(2-pyridin-2-ylethyl)amino]-3-methylbutan-1-ol
CID 111462145
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
2-amino-N-cyclopropyl-3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide
CID 76895282

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyl-2-[methyl(pyridin-2-ylmethyl)amino]pentan-1-ol?
The IUPAC name of 3-amino-4,4-dimethyl-2-[methyl(pyridin-2-ylmethyl)amino]pentan-1-ol (CID 114356672) is 3-amino-4,4-dimethyl-2-[methyl(pyridin-2-ylmethyl)amino]pentan-1-ol.
What is the SMILES notation for 3-amino-4,4-dimethyl-2-[methyl(pyridin-2-ylmethyl)amino]pentan-1-ol?
The canonical SMILES for 3-amino-4,4-dimethyl-2-[methyl(pyridin-2-ylmethyl)amino]pentan-1-ol is CN(Cc1ccccn1)C(CO)C(N)C(C)(C)C.
What is the InChIKey of 3-amino-4,4-dimethyl-2-[methyl(pyridin-2-ylmethyl)amino]pentan-1-ol?
The InChIKey is KQLWQZYLGKGFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(2,3)13(15)12(10-18)17(4)9-11-7-5-6-8-16-11/h5-8,12-13,18H,9-10,15H2,1-4H3.
What are the key properties of 3-amino-4,4-dimethyl-2-[methyl(pyridin-2-ylmethyl)amino]pentan-1-ol?
3-amino-4,4-dimethyl-2-[methyl(pyridin-2-ylmethyl)amino]pentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-2-[methyl(pyridin-2-ylmethyl)amino]pentan-1-ol is sourced from PubChem (CID 114356672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).